trans-N-(4-Nitroxycyclohexyl)urea
TL;DR: trans-N-(4-Nitroxycyclohexyl)urea (CAS 160791-62-8) is a chemical compound with molecular formula C7H13N3O4 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(carbamoylamino)cyclohexyl] nitrate
Also Known As: trans-N-(4-Nitroxycyclohexyl)urea, [4-(carbamoylamino)cyclohexyl] nitrate, Bm 121247, Urea, (trans-4-(nitrooxy)cyclohexyl)-, Urea, (4-(nitrooxy)cyclohexyl)-, trans-
| Molecular Formula | C7H13N3O4 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.0906 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 160791-62-8 |
|---|---|
| SMILES | C1CC(CCC1NC(=O)N)O[N+](=O)[O-] |
| InChIKey | WTSRNWNXYYKFAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-N-(4-Nitroxycyclohexyl)urea (CAS 160791-62-8), with molecular formula C7H13N3O4 and molecular weight 203.09 g/mol. IUPAC: [4-(carbamoylamino)cyclohexyl] nitrate.
Chemical Property Profile of trans-N-(4-Nitroxycyclohexyl)urea
Property Insights of trans-N-(4-Nitroxycyclohexyl)urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-N-(4-Nitroxycyclohexyl)urea. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-N-(4-Nitroxycyclohexyl)urea. Following Lipinski's Rule of Five, trans-N-(4-Nitroxycyclohexyl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trans-N-(4-Nitroxycyclohexyl)urea?
The CAS number of trans-N-(4-Nitroxycyclohexyl)urea is 160791-62-8.
What is the molecular formula of trans-N-(4-Nitroxycyclohexyl)urea?
The molecular formula of trans-N-(4-Nitroxycyclohexyl)urea is C7H13N3O4.
What is the molecular weight of trans-N-(4-Nitroxycyclohexyl)urea?
The molecular weight of trans-N-(4-Nitroxycyclohexyl)urea is 203.09 g/mol.
Where can I buy trans-N-(4-Nitroxycyclohexyl)urea?
You can request a quote for trans-N-(4-Nitroxycyclohexyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-N-(4-Nitroxycyclohexyl)urea?
Yes, KEHONG BIO provides custom synthesis services for trans-N-(4-Nitroxycyclohexyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.